N-[(2S)-1-methoxypropan-2-yl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[(2S)-1-methoxypropan-2-yl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-[(1S)-2-methoxy-1-methyl-ethyl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[(2S)-1-methoxypropan-2-yl]-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-[(2S)-1-methoxypropan-2-yl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-[(1S)-2-methoxy-1-methyl-ethyl]-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=CC=C3

Isomeric SMILES

C[C@@H](COC)NC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=CC=C3

InChI

InChI=1S/C17H19N5O2S/c1-12(9-24-2)21-15(23)10-25-17-14-8-20-22(16(14)18-11-19-17)13-6-4-3-5-7-13/h3-8,11-12H,9-10H2,1-2H3,(H,21,23)/t12-/m0/s1